Home > Compound List > Compound details
39085-59-1 molecular structure
click picture or here to close

2,4,6-tris(propan-2-yl)benzene-1-sulfonohydrazide

ChemBase ID: 90308
Molecular Formular: C15H26N2O2S
Molecular Mass: 298.44414
Monoisotopic Mass: 298.17149908
SMILES and InChIs

SMILES:
S(=O)(=O)(c1c(cc(cc1C(C)C)C(C)C)C(C)C)NN
Canonical SMILES:
NNS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
InChI:
InChI=1S/C15H26N2O2S/c1-9(2)12-7-13(10(3)4)15(20(18,19)17-16)14(8-12)11(5)6/h7-11,17H,16H2,1-6H3
InChIKey:
UGRVYFQFDZRNMQ-UHFFFAOYSA-N

Cite this record

CBID:90308 http://www.chembase.cn/molecule-90308.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4,6-tris(propan-2-yl)benzene-1-sulfonohydrazide
IUPAC Traditional name
2,4,6-triisopropylbenzenesulfonohydrazide
Synonyms
2,4,6-Triisopropylbenzenesulfonohydrazide
2,4,6-Triisopropylbenzenesulphonohydrazide 95%
TPSH
2,4,6-Triisopropylbenzenesulfonohydrazide
Trisylhydrazide
2,4,6-Triisopropylbenzenesulfonyl hydrazide
2,4,6-Triisopropylbenzenesulfonohydrazide
2,4,6-三异丙基苯磺酰基肼
2,4,6-三异丙基苯磺酰肼
2,4,6-三异丙基苯磺酰基肼
CAS Number
39085-59-1
EC Number
254-282-7
MDL Number
MFCD00014750
Beilstein Number
2145001
PubChem SID
24851533
162077128
24889601
PubChem CID
359333

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.4927435  H Acceptors
H Donor LogD (pH = 5.5) 4.01777 
LogD (pH = 7.4) 4.0176873  Log P 4.0178285 
Molar Refractivity 85.2724 cm3 Polarizability 33.36377 Å3
Polar Surface Area 72.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Crystalline expand Show data source
Melting Point
110-112 °C (dec.)(lit.) expand Show data source
110-112°C dec. expand Show data source
114°C expand Show data source
Storage Condition
Store at -20°C expand Show data source
Storage Warning
Irritant expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥90% (HPLC) expand Show data source
90% expand Show data source
97% expand Show data source
Grade
technical expand Show data source
Linear Formula
[(CH3)2CH]3C6H2SO2NHNH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 192198 external link
Packaging
1, 5 g in glass bottle
Sigma Aldrich - 92078 external link
Other Notes
Convenient source of diimide1; For the preparation of vinyllithium compounds from ketones (Sharpio reaction)2; For the synthesis of homologated nitriles from aldehydes and ketones3; For the preparation of aryldiazoalkanes4

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle